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Zhengyang Zhou

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29 papers

2 author rows

AAAI Conference 2026 Conference Paper

MSAnchor: De Novo Molecular Generation from Mass Spectrometry Data with Anchor-Extended Molecular Scaffolds

Xiaohan Qin
Chao Wang
Zhengyang Zhou
Linjiang Chen
Wenjie Du
Yang Wang

Tandem mass spectrometry (MS/MS) is a critical tool for identifying molecular structures. By efficiently separating molecular fragments based on their mass-to-charge (m/z) ratios, it facilitates molecular generation and subsequent scientific discoveries. However, de novo molecular generation from MS/MS spectra remains fundamentally constrained by two paramount challenges: the vast chemical space requires effective structural constraints, and the absence of fine-grained substructural generation weakens the correspondences between spectral features and molecular structures. In this work, we propose MSAnchor, a novel two-stage framework for MS/MS-based molecular structure generation. We mitigate the search space challenge through the introduction of Anchor-Extended Molecular Scaffold (AEMS) representation that explicitly encodes side-chain anchoring points, thereby dramatically reducing combinatorial complexity. Leveraging the explicit attachment sites provided by AEMS, we develop anchor-specific priors that establish effective alignments between spectral features and molecular substructures. This fine-grained substructural correspondence is further enhanced by a modified Conditional Information Bottleneck (CIB) module that extracts the most informative spectral components in a structure-aware manner. These innovations enable MSAnchor to generate molecular structures that closely reflect spectral characteristics while constraining combinatorial complexity. Extensive experiments on the CANOPUS and MassSpecGym datasets demonstrate that MSAnchor achieves state-of-the-art performance in molecular structure prediction from MS/MS spectra, with performance improvements that are particularly more pronounced for molecules with higher complexity.

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AAAI Conference 2026 Conference Paper

Talk2Image: A Multi-Agent System for Multi-Turn Image Generation and Editing

Shichao Ma
Yunhe Guo
Jiahao Su
Qihe Huang
Zhengyang Zhou
Yang Wang

Text-to-image generation tasks have driven remarkable advances in diverse media applications, yet most focus on single-turn scenarios and struggle with iterative, multi-turn creative tasks. Recent dialogue-based systems attempt to bridge this gap, but their single-agent, sequential paradigm often causes intention drift and incoherent edits. To address these limitations, we present Talk2Image, a novel multi-agent system for interactive image generation and editing in multi-turn dialogue scenarios. Our approach integrates three key components: intention parsing from dialogue history, task decomposition and collaborative execution across specialized agents, and feedback-driven refinement based on a multi-view evaluation mechanism. Talk2Image enables step-by-step alignment with user intention and consistent image editing. Experiments demonstrate that Talk2Image outperforms existing baselines in controllability, coherence, and user satisfaction across iterative image generation and editing tasks.

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AAAI Conference 2026 Conference Paper

U2B: Scale-unbiased Representation Converter for Graph Classification with Imbalanced and Balanced Scale Distributions

Guanjun Wang
Jianhao Zhang
Jiaming Ma
Sheng Huang
Pengkun Wang
Zhengyang Zhou
Binwu Wang
Yang Wang

Graph classification is a critical task in analyzing graph data, with applications across various domains. While graph neural networks (GNNs) have achieved remarkable results, their ability to generalize across graphs of varying scales remains a challenge. Conventional models often perform well on large-scale graphs but struggle with distributions that are skewed towards small scales. Conversely, models tailored to address scale imbalances frequently prioritize small-scale graphs, leading to diminished performance in more balanced scenarios. To overcome these limitations, we introduce a Unbalanced-Balanced Representation Converter (U2B), which exhibits no explicit bias toward graph scales. U2B employs a two-step workflow: a distillation phase to extract base features from both node-level and graph-level representations, followed by a refinement phase to generate unbiased representations for improved balance. In the distillation phase, a static constraint guides node-level adjustments, improving the representation of nodes in small graphs. Simultaneously, a dynamic constraint in the graph-level process mitigates biases toward features from large graphs. To ensure harmony between the representations, a consistency alignment loss is introduced, aligning node-level and graph-level features to create more cohesive and balanced graph representations. Extensive experiments on multiple datasets show that U2B achieves competitive performance.

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IJCAI Conference 2025 Conference Paper

Causal Learning Meet Covariates: Empowering Lightweight and Effective Nationwide Air Quality Forecasting

Jiaming Ma
Zhiqing Cui
Binwu Wang
Pengkun Wang
Zhengyang Zhou
Zhe Zhao
Yang Wang

Air quality prediction plays a crucial role in the development of smart cities, garnering significant attention from both academia and industry. Current air quality prediction models encounter two major limitations: their high computational complexity limits scalability to nationwide datasets, and they often regard weather covariates as optional auxiliary information. In reality, weather covariates can have a substantial impact on air quality indices (AQI), exhibiting a significant causal association. In this paper, we first present a nationwide air quality dataset to address the lack of open-source, large-scale datasets in this field. Then we propose a causal learning model, CauAir, for air quality prediction that harnesses the powerful representation capabilities of the Transformer to explicitly model the causal association between weather covariates and AQI. To address the high complexity of traditional Transformers, we design CachLormer, which features two key innovations: a simplified architecture with redundant components removed, and a cache-attention mechanism that employs learnable embeddings for perceiving causal association between AQI and weather covariates in a coarsegrained perspective. We use information theory to illustrate the superiority of the proposed model. Finally, experimental results on three datasets with 28 as the baseline demonstrate that our model achieves competitive performance, while maintaining high training efficiency and low memory consumption. The source code is available at CauAir Official Repository.

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ICML Conference 2025 Conference Paper

Enhancing Graph Invariant Learning from a Negative Inference Perspective

Kuo Yang 0002
Zhengyang Zhou
Qihe Huang
Wenjie Du 0003
Limin Li
Wu Jiang
Yang Wang 0015

The out-of-distribution (OOD) generalization challenge is a longstanding problem in graph learning. Through studying the fundamental cause of data distribution shift, i. e. , the changes of environments, significant progress has been achieved in addressing this issue. However, we observe that existing works still fail to effectively address complex environment shifts. Existing practices place excessive attention on extracting causal subgraphs, inevitably treating spurious subgraphs as environment variables. While spurious subgraphs are controlled by environments, the space of environment changes encompass more than the scale of spurious subgraphs. Therefore, existing efforts have a limited inference space for environments, leading to failure under severe environment changes. To tackle this issue, we propose a negative inference graph OOD framework (NeGo) to broaden the inference space for environment factors. Inspired by the successful practice of prompt learning in capturing underlying semantics and causal associations in large language models, we design a negative prompt environment inference to extract underlying environment information. We further introduce the environment-enhanced invariant subgraph learning to effectively exploit inferred environment embedding, ensuring the robust extraction of causal subgraph in the environment shifts. Lastly, we conduct a comprehensive evaluation of NeGo on real-world datasets and synthetic datasets across domains. NeGo outperforms baselines on nearly all datasets, which verify the effectiveness of our framework.

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NeurIPS Conference 2025 Conference Paper

Enhancing the Maximum Effective Window for Long-Term Time Series Forecasting

Jiahui Zhang
Zhengyang Zhou
Wenjie Du
Yang Wang

Long-term time series forecasting (LTSF) aims to predict future trends based on historical data. While longer lookback windows theoretically offer more comprehensive insights, Transformer-based models often struggle with them. On one hand, longer windows introduce more noise and redundancy, hindering the model's learning process. On the other hand, Transformers suffer from attention dispersion and are prone to overfitting to noise, especially when processing long sequences. In this paper, we introduce the Maximum Effective Window (MEW) metric to assess a model's ability to effectively utilize the lookback window. We also propose two model-agnostic modules to enhance MEW, enabling models to better leverage historical data for improved performance. Specifically, to reduce redundancy and noise, we introduce the Information Bottleneck Filter (IBF), which employs information bottleneck theory to extract the most essential subsequences from the input. Additionally, we propose the Hybrid-Transformer-Mamba (HTM), which incorporates the Mamba mechanism for selective forgetting of long sequences while harnessing the Transformer's strong modeling capabilities for shorter sequences. We integrate these two modules into various Transformer-based models, and experimental results show that they effectively enhance MEW, leading to improved overall performance. Our code is available at \url{https: //github. com/forever-ly/PIH}.

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ICRA Conference 2025 Conference Paper

LamPro: Multi-Prototype Representation Learning for Enhanced Visual Pattern Recognition

Ji Qi
Wei Sun
Qihe Huang
Zhengyang Zhou
Yang Wang 0015

Visual pattern recognition usually plays important roles in robotics and automation society where the pattern recognition relies on representation learning. Existing representation learning often neglects two important issues, the diversity of intra-class representation and under-exploited label utilization, especially the negative feedback during training process. Fortunately, prototype learning potentially raises label utilization and encourages intra-class diversity. In this paper, we investigate the intra-class diversity and effective updates in prototype learning for enhanced visual pattern recognition. Specifically, we propose a Label-aware multi-Prototype learning, LamPro, by incorporating the label awareness into both prototype formation and update to improve the representation quality. Firstly, we design a supervised contrastive learning to achieve class-discriminative representations. Secondly, we randomly initialize multiple prototypes and update the nearest prototype upon the arrival of instance, to preserve intra-class diversity. Thirdly, we propose a novel Label-guided Adaptive Updating. We separate the prototype updates from the representation optimization and exploit the label indexes to directly implement the prediction feedback. To correct the model optimization directions, we identify the negative feedback, and correct the prototype updates via queries of labels. Finally, we design a memory-based counter to alternately update these deviated prototypes. Experiments verify the effectiveness of our label-aware and joint multi-prototype updating strategies.

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NeurIPS Conference 2025 Conference Paper

Less but More: Linear Adaptive Graph Learning Empowering Spatiotemporal Forecasting

Jiaming Ma
Binwu Wang
Guanjun Wang
Kuo Yang
Zhengyang Zhou
Pengkun Wang
Xu Wang
Yang Wang

The effectiveness of Spatiotemporal Graph Neural Networks (STGNNs) critically hinges on the quality of the underlying graph topology. While end-to-end adaptive graph learning methods have demonstrated promising results in capturing latent spatiotemporal dependencies, they often suffer from high computational complexity and limited expressive capacity. In this paper, we propose MAGE for efficient spatiotemporal forecasting. We first conduct a theoretical analysis demonstrating that the ReLU activation function employed in existing methods amplifies edge-level noise during graph topology learning, thereby compromising the fidelity of the learned graph structures. To enhance model expressiveness, we introduce a sparse yet balanced mixture-of-experts strategy, where each expert perceives the unique underlying graph through kernel-based functions and operates with linear complexity relative to the number of nodes. The sparsity mechanism ensures that each node interacts exclusively with compatible experts, while the balancing mechanism promotes uniform activation across all experts, enabling diverse and adaptive graph representations. Furthermore, we theoretically establish that a single graph convolution using the learned graph in MAGE is mathematically equivalent to multiple convolutional steps under conventional graphs. We evaluate MAGE against advanced baselines on multiple real-world spatiotemporal datasets. MAGE achieves competitive performance while maintaining strong computational efficiency.

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NeurIPS Conference 2025 Conference Paper

Many Minds, One Goal: Time Series Forecasting via Sub-task Specialization and Inter-agent Cooperation

Qihe Huang
Zhengyang Zhou
Yangze Li
Kuo Yang
Binwu Wang
Yang Wang

Time series forecasting is a critical and complex task, characterized by diverse temporal patterns, varying statistical properties, and different prediction horizons across datasets and domains. Conventional approaches typically rely on a single, unified model architecture to handle all forecasting scenarios. However, such monolithic models struggle to generalize across dynamically evolving time series with shifting patterns. In reality, different types of time series may require distinct modeling strategies. Some benefit from homogeneous multi-scale forecasting awareness, while others rely on more complex and heterogeneous signal perception. Relying on a single model to capture all temporal diversity and structural variations leads to limited performance and poor interpretability. To address this challenge, we propose a Multi-Agent Forecasting System (MAFS) that abandons the one-size-fits-all paradigm. MAFS decomposes the forecasting task into multiple sub-tasks, each handled by a dedicated agent trained on specific temporal perspectives (e. g. , different forecasting resolutions or signal characteristics). Furthermore, to achieve holistic forecasting, agents share and refine information through different communication topology, enabling cooperative reasoning across different temporal views. A lightweight voting aggregator then integrates their outputs into consistent final predictions. Extensive experiments across 11 benchmarks demonstrate that MAFS significantly outperforms traditional single-model approaches, yielding more robust and adaptable forecasts.

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NeurIPS Conference 2025 Conference Paper

MoFo: Empowering Long-term Time Series Forecasting with Periodic Pattern Modeling

Jiaming Ma
Binwu Wang
Qihe Huang
Guanjun Wang
Pengkun Wang
Zhengyang Zhou
Yang Wang

The stable periodic patterns present in the time series data serve as the foundation for long-term forecasting. However, existing models suffer from limitations such as continuous and chaotic input partitioning, as well as weak inductive biases, which restrict their ability to capture such recurring structures. In this paper, we propose MoFo, which interprets periodicity as both the correlation of period-aligned time steps and the trend of period-offset time steps. We first design period-structured patches—2D tensors generated through discrete sampling—where each row contains only period-aligned time steps, enabling direct modeling of periodic correlations. Period-offset time steps within a period are aligned in columns. To capture trends across these offset time steps, we introduce a period-aware modulator. This modulator introduces an adaptive strong inductive bias through a regulated relaxation function, encouraging the model to generate attention coefficients that align with periodic trends. This function is end-to-end trainable, enabling the model to adaptively capture the distinct periodic patterns across diverse datasets. Extensive empirical results on widely used benchmark datasets demonstrate that MoFo achieves competitive performance while maintaining high memory efficiency and fast training speed.

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IJCAI Conference 2025 Conference Paper

Revealing Concept Shift in Spatio-Temporal Graphs via State Learning

Kuo Yang
Yunhe Guo
Qihe Huang
Zhengyang Zhou
Yang Wang

Dynamic graphs are ubiquitous in the real world, presenting the temporal evolution of individuals within spatial associations. Recently, dynamic graph learning research is flourishing, striving to more effectively capture evolutionary patterns and spatial correlations. However, existing methods still fail to address the issue of concept shift in dynamic graphs. Concept shift manifests as a distribution shift in the mapping pattern between historical observations and future evolution. The reason is that some environment variables in dynamic graphs exert varying effects on evolution patterns, but these variables are not effectively captured by the models, leading to the intractable concept shift issue. To tackle this issue, we propose a State-driven environment inference framework (Samen) to achieve a dynamic graph learning framework equipped with concept generalization ability. Firstly, we propose a two-stage environment inference and compression strategy. From the perspective of state space, we introduce a prefix-suffix collaborative state learning mechanism to bidirectionally model the spatio-temporal states. A hierarchical state compressor is further designed to refine the state information resulting in concept shift. Secondly, we propose a skip-connection spatio-temporal prediction module, which effectively utilizes the inferred environments to improve the model's generalization capability. Finally, we select seven datasets from different domains to validate the effectiveness of our model. By comparing the performance of different models on samples with concept shift, we verify that our Samen gains generalization capacity that existing methods fail to capture.

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ICML Conference 2025 Conference Paper

Robust Spatio-Temporal Centralized Interaction for OOD Learning

Jiaming Ma
Binwu Wang
Pengkun Wang 0001
Zhengyang Zhou
Xu Wang 0029
Yang Wang 0015

Recently, spatiotemporal graph convolutional networks have achieved dominant performance in spatiotemporal prediction tasks. However, most models relying on node-to-node messaging interaction exhibit sensitivity to spatiotemporal shifts, encountering out-of-distribution (OOD) challenges. To address these issues, we introduce S patio- T emporal O OD P rocessor (STOP), which employs a centralized messaging mechanism along with a message perturbation mechanism to facilitate robust spatiotemporal interactions. Specifically, the centralized messaging mechanism integrates Context-Aware Units for coarse-grained spatiotemporal feature interactions with nodes, effectively blocking traditional node-to-node messages. We also implement a message perturbation mechanism to disrupt this messaging process, compelling the model to extract generalizable contextual features from generated variant environments. Finally, we customize a spatiotemporal distributionally robust optimization approach that exposes the model to challenging environments, thereby further enhancing its generalization capabilities. Compared with 14 baselines across six datasets, STOP achieves up to 17. 01% improvement in generalization performance and 18. 44% improvement in inductive learning performance. The code is available at https: //github. com/PoorOtterBob/STOP.

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ICML Conference 2025 Conference Paper

SynEVO: A neuro-inspired spatiotemporal evolutional framework for cross-domain adaptation

Jiayue Liu
Zhongchao Yi
Zhengyang Zhou
Qihe Huang
Kuo Yang 0002
Xu Wang 0029
Yang Wang 0015

Discovering regularities from spatiotemporal systems can benefit various scientific and social planning. Current spatiotemporal learners usually train an independent model from a specific source data that leads to limited transferability among sources, where even correlated tasks requires new design and training. The key towards increasing cross-domain knowledge is to enable collective intelligence and model evolution. In this paper, inspired by neuroscience theories, we theoretically derive the increased information boundary via learning cross-domain collective intelligence and propose a Synaptic EVOlutional spatiotemporal network, SynEVO, where SynEVO breaks the model independence and enables cross-domain knowledge to be shared and aggregated. Specifically, we first re-order the sample groups to imitate the human curriculum learning, and devise two complementary learners, elastic common container and task-independent extractor to allow model growth and task-wise commonality and personality disentanglement. Then an adaptive dynamic coupler with a new difference metric determines whether the new sample group should be incorporated into common container to achieve model evolution under various domains. Experiments show that SynEVO improves the generalization capacity by at most 42% under cross-domain scenarios and SynEVO provides a paradigm of NeuroAI for knowledge transfer and adaptation. Code available at https: //github. com/Rodger-Lau/SynEVO.

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ICML Conference 2025 Conference Paper

TimeBase: The Power of Minimalism in Efficient Long-term Time Series Forecasting

Qihe Huang
Zhengyang Zhou
Kuo Yang 0002
Zhongchao Yi
Xu Wang 0029
Yang Wang 0015

Long-term time series forecasting (LTSF) has traditionally relied on large parameters to capture extended temporal dependencies, resulting in substantial computational costs and inefficiencies in both memory usage and processing time. However, time series data, unlike high-dimensional images or text, often exhibit temporal pattern similarity and low-rank structures, especially in long-term horizons. By leveraging this structure, models can be guided to focus on more essential, concise temporal data, improving both accuracy and computational efficiency. In this paper, we introduce TimeBase, an ultra-lightweight network to harness the power of minimalism in LTSF. TimeBase 1) extracts core basis temporal components and 2) transforms traditional point-level forecasting into efficient segment-level forecasting, achieving optimal utilization of both data and parameters. Extensive experiments on diverse real-world datasets show that TimeBase achieves remarkable efficiency and secures competitive forecasting performance. Additionally, TimeBase can also serve as a very effective plug-and-play complexity reducer for any patch-based forecasting models. Code is available at https: //github. com/hqh0728/TimeBase.

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AAAI Conference 2024 Conference Paper

A Twist for Graph Classification: Optimizing Causal Information Flow in Graph Neural Networks

Zhe Zhao
Pengkun Wang
Haibin Wen
Yudong Zhang
Zhengyang Zhou
Yang Wang

Graph neural networks (GNNs) have achieved state-of-the-art results on many graph representation learning tasks by exploiting statistical correlations. However, numerous observations have shown that such correlations may not reflect the true causal mechanisms underlying the data and thus may hamper the ability of the model to generalize beyond the observed distribution. To address this problem, we propose an Information-based Causal Learning (ICL) framework that combines information theory and causality to analyze and improve graph representation learning to transform information relevance to causal dependence. Specifically, we first introduce a multi-objective mutual information optimization objective derived from information-theoretic analysis and causal learning principles to simultaneously extract invariant and interpretable causal information and reduce reliance on non-causal information in correlations. To optimize this multi-objective objective, we enable a causal disentanglement layer that effectively decouples the causal and non-causal information in the graph representations. Moreover, due to the intractability of mutual information estimation, we derive variational bounds that enable us to transform the above objective into a tractable loss function. To balance the multiple information objectives and avoid optimization conflicts, we leverage multi-objective gradient descent to achieve a stable and efficient transformation from informational correlation to causal dependency. Our approach provides important insights into modulating the information flow in GNNs to enhance their reliability and generalization. Extensive experiments demonstrate that our approach significantly improves the robustness and interpretability of GNNs across different distribution shifts. Visual analysis demonstrates how our method converts informative dependencies in representations into causal dependencies.

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AAAI Conference 2024 Conference Paper

Earthfarsser: Versatile Spatio-Temporal Dynamical Systems Modeling in One Model

Hao Wu
Yuxuan Liang
Wei Xiong
Zhengyang Zhou
Wei Huang
Shilong Wang
Kun Wang

Efficiently modeling spatio-temporal (ST) physical processes and observations presents a challenging problem for the deep learning community. Many recent studies have concentrated on meticulously reconciling various advantages, leading to designed models that are neither simple nor practical. To address this issue, this paper presents a systematic study on existing shortcomings faced by off-the-shelf models, including lack of local fidelity, poor prediction performance over long time-steps, low scalability, and inefficiency. To systematically address the aforementioned problems, we propose an EarthFarseer, a concise framework that combines parallel local convolutions and global Fourier-based transformer architectures, enabling dynamically capture the local-global spatial interactions and dependencies. EarthFarseer also incorporates a multi-scale fully convolutional and Fourier architectures to efficiently and effectively capture the temporal evolution. Our proposal demonstrates strong adaptability across various tasks and datasets, with fast convergence and better local fidelity in long time-steps predictions. Extensive experiments and visualizations over eight human society physical and natural physical datasets demonstrates the state-of-the-art performance of EarthFarseer. We release our code at https://github.com/easylearningscores/EarthFarseer.

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NeurIPS Conference 2024 Conference Paper

Get Rid of Isolation: A Continuous Multi-task Spatio-Temporal Learning Framework

Zhongchao Yi
Zhengyang Zhou
Qihe Huang
Yanjiang Chen
Liheng Yu
Xu Wang
Yang Wang

Spatiotemporal learning has become a pivotal technique to enable urban intelligence. Traditional spatiotemporal models mostly focus on a specific task by assuming a same distribution between training and testing sets. However, given that urban systems are usually dynamic, multi-sourced with imbalanced data distributions, current specific task-specific models fail to generalize to new urban conditions and adapt to new domains without explicitly modeling interdependencies across various dimensions and types of urban data. To this end, we argue that there is an essential to propose a Continuous Multi-task Spatio-Temporal learning framework (CMuST) to empower collective urban intelligence, which reforms the urban spatiotemporal learning from single-domain to cooperatively multi-dimensional and multi-task learning. Specifically, CMuST proposes a new multi-dimensional spatiotemporal interaction network (MSTI) to allow cross-interactions between context and main observations as well as self-interactions within spatial and temporal aspects to be exposed, which is also the core for capturing task-level commonality and personalization. To ensure continuous task learning, a novel Rolling Adaptation training scheme (RoAda) is devised, which not only preserves task uniqueness by constructing data summarization-driven task prompts, but also harnesses correlated patterns among tasks by iterative model behavior modeling. We further establish a benchmark of three cities for multi-task spatiotemporal learning, and empirically demonstrate the superiority of CMuST via extensive evaluations on these datasets. The impressive improvements on both few-shot streaming data and new domain tasks against existing SOAT methods are achieved. Code is available at https: //github. com/DILab-USTCSZ/CMuST.

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AAAI Conference 2024 Conference Paper

HDMixer: Hierarchical Dependency with Extendable Patch for Multivariate Time Series Forecasting

Qihe Huang
Lei Shen
Ruixin Zhang
Jiahuan Cheng
Shouhong Ding
Zhengyang Zhou
Yang Wang

Multivariate time series (MTS) prediction has been widely adopted in various scenarios. Recently, some methods have employed patching to enhance local semantics and improve model performance. However, length-fixed patch are prone to losing temporal boundary information, such as complete peaks and periods. Moreover, existing methods mainly focus on modeling long-term dependencies across patches, while paying little attention to other dimensions (e.g., short-term dependencies within patches and complex interactions among cross-variavle patches). To address these challenges, we propose a pure MLP-based HDMixer, aiming to acquire patches with richer semantic information and efficiently modeling hierarchical interactions. Specifically, we design a Length-Extendable Patcher (LEP) tailored to MTS, which enriches the boundary information of patches and alleviates semantic incoherence in series. Subsequently, we devise a Hierarchical Dependency Explorer (HDE) based on pure MLPs. This explorer effectively models short-term dependencies within patches, long-term dependencies across patches, and complex interactions among variables. Extensive experiments on 9 real-world datasets demonstrate the superiority of our approach. The code is available at https://github.com/hqh0728/HDMixer.

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NeurIPS Conference 2024 Conference Paper

Improving Generalization of Dynamic Graph Learning via Environment Prompt

Kuo Yang
Zhengyang Zhou
Qihe Huang
Limin Li
Yuxuan Liang
Yang Wang

Out-of-distribution (OOD) generalization issue is a well-known challenge within deep learning tasks. In dynamic graphs, the change of temporal environments is regarded as the main cause of data distribution shift. While numerous OOD studies focusing on environment factors have achieved remarkable performance, they still fail to systematically solve the two issue of environment inference and utilization. In this work, we propose a novel dynamic graph learning model named EpoD based on prompt learning and structural causal model to comprehensively enhance both environment inference and utilization. Inspired by the superior performance of prompt learning in understanding underlying semantic and causal associations, we first design a self-prompted learning mechanism to infer unseen environment factors. We then rethink the role of environment variable within spatio-temporal causal structure model, and introduce a novel causal pathway where dynamic subgraphs serve as mediating variables. The extracted dynamic subgraph can effectively capture the data distribution shift by incorporating the inferred environment variables into the node-wise dependencies. Theoretical discussions and intuitive analysis support the generalizability and interpretability of EpoD. Extensive experiments on seven real-world datasets across domains showcase the superiority of EpoD against baselines, and toy example experiments further verify the powerful interpretability and rationality of our EpoD.

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IJCAI Conference 2024 Conference Paper

LeRet: Language-Empowered Retentive Network for Time Series Forecasting

Qihe Huang
Zhengyang Zhou
Kuo Yang
Gengyu Lin
Zhongchao Yi
Yang Wang

Time series forecasting (TSF) plays a pivotal role in many real-world applications. Recently, the utilization of Large Language Models (LLM) in TSF has demonstrated exceptional predictive performance, surpassing most task-specific forecasting models. The success of LLM-based forecasting methods underscores the importance of causal dependence modeling and pre-trained knowledge transfer. However, challenges persist in directly applying LLM to TSF, i. e. , the unacceptable parameter scales for resource-intensive model optimization, and the significant gap of feature space between structural numerical time series and natural language. To this end, we propose LeRet, a Language-empowered Retentive network for TSF. Technically, inspired by the causal extraction in LLM, we propose a causal dependence learner, enhanced by a patch-level pre-training task, to capture sequential causal evolution. To minimize the gap between numeric and language, we initialize a language description protocol for time series and design a TS-related language knowledge extractor to learn from language description, avoiding training with large-scale parameters. Finally, we dedicatedly achieve a Language-TS Modality Integrator for the fusion of two types data, and enable language-empowered sequence forecasting. Extensive evaluations demonstrate the effectiveness of our LeRet, especially reveal superiority on few-shot, and zero-shot forecasting tasks. Code is available at https: //github. com/hqh0728/LeRet.

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IJCAI Conference 2024 Conference Paper

Make Bricks with a Little Straw: Large-Scale Spatio-Temporal Graph Learning with Restricted GPU-Memory Capacity

Binwu Wang
Pengkun Wang
Zhengyang Zhou
Zhe Zhao
Wei Xu
Yang Wang

Traffic prediction plays a key role in various smart city applications, which can help traffic managers make traffic plans in advance, assist online ride-hailing companies in deploying vehicles reasonably, and provide early warning of congestion for safety authorities. While increasingly complex models achieve impressive prediction performance, there are concerns about the effectiveness of these models in handling large-scale road networks. Especially for researchers who don't have access to powerful GPU devices, the expensive memory burden limits the usefulness of these models. In this paper, we take the first step of learning on the large-scale spatio-temporal graph and propose a divide-and-conquer training strategy for Large Spatio-Temporal Graph Learning, namely LarSTL. The core idea behind this strategy is to divide the large graph into multiple subgraphs, which are treated as task streams to sequentially train the model to conquer each subgraph one by one. We introduce a novel perspective based on the continuous learning paradigm to achieve this goal. In order to overcome forgetting the knowledge learned from previous subgraphs, an experience-replay strategy consolidates the learned knowledge by replaying nodes sampled from previous subgraphs. Moreover, we configure specific feature adaptors for each subgraph to extract personalized features, and it is also beneficial to consolidate the learned knowledge from the perspective of parameters. We conduct experiments using multiple large-scale traffic network datasets on a V100 GPU with only 16GB memory, and the results demonstrate that our LarSTL can achieve competitive performance and high efficiency.

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AAAI Conference 2024 Conference Paper

NondBREM: Nondeterministic Offline Reinforcement Learning for Large-Scale Order Dispatching

Hongbo Zhang
Guang Wang
Xu Wang
Zhengyang Zhou
Chen Zhang
Zheng Dong
Yang Wang

One of the most important tasks in ride-hailing is order dispatching, i.e., assigning unserved orders to available drivers. Recent order dispatching has achieved a significant improvement due to the advance of reinforcement learning, which has been approved to be able to effectively address sequential decision-making problems like order dispatching. However, most existing reinforcement learning methods require agents to learn the optimal policy by interacting with environments online, which is challenging or impractical for real-world deployment due to high costs or safety concerns. For example, due to the spatiotemporally unbalanced supply and demand, online reinforcement learning-based order dispatching may significantly impact the revenue of the ride-hailing platform and passenger experience during the policy learning period. Hence, in this work, we develop an offline deep reinforcement learning framework called NondBREM for large-scale order dispatching, which learns policy from only the accumulated logged data to avoid costly and unsafe interactions with the environment. In NondBREM, a Nondeterministic Batch-Constrained Q-learning (NondBCQ) module is developed to reduce the algorithm extrapolation error and a Random Ensemble Mixture (REM) module that integrates multiple value networks with multi-head networks is utilized to improve the model generalization and robustness. Extensive experiments on large-scale real-world ride-hailing datasets show the superiority of our design.

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JBHI Journal 2024 Journal Article

Prognosis Prediction of Diffuse Large B-Cell Lymphoma in $^{18}$F-FDG PET Images Based on Multi-Deep-Learning Models

Chunjun Qian
Chong Jiang
Kai Xie
Chongyang Ding
Yue Teng
Jiawei Sun
Liugang Gao
Zhengyang Zhou

Diffuse large B-cell lymphoma (DLBCL), a cancer of B cells, has been one of the most challenging and complicated diseases because of its considerable variation in clinical behavior, response to therapy, and prognosis. Radiomic features from medical images, such as PET images, have become one of the most valuable features for disease classification or prognosis prediction using learning-based methods. In this paper, a new flexible ensemble deep learning model is proposed for the prognosis prediction of the DLBCL in $^{18}$ F-FDG PET images. This study proposes the multi-R-signature construction through selected pre-trained deep learning models for predicting progression-free survival (PFS) and overall survival (OS). The proposed method is trained and validated on two datasets from different imaging centers. Through analyzing and comparing the results, the prediction models, including Age, Ann abor stage, Bulky disease, SUVmax, TMTV, and multi-R-signature, achieve the almost best PFS prediction performance (C-index: 0. 770, 95% CI: 0. 705-0. 834, with feature adding fusion method and C-index: 0. 764, 95% CI: 0. 695-0. 832, with feature concatenate fusion method) and OS prediction (C-index: 0. 770 (0. 692-0. 848) and 0. 771 (0. 694-0. 849)) on the validation dataset. The developed multiparametric model could achieve accurate survival risk stratification of DLBCL patients. The outcomes of this study will be helpful for the early identification of high-risk DLBCL patients with refractory relapses and for guiding individualized treatment strategies.

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AAAI Conference 2024 Conference Paper

Towards Dynamic Spatial-Temporal Graph Learning: A Decoupled Perspective

Binwu Wang
Pengkun Wang
Yudong Zhang
Xu Wang
Zhengyang Zhou
Lei Bai
Yang Wang

With the progress of urban transportation systems, a significant amount of high-quality traffic data is continuously collected through streaming manners, which has propelled the prosperity of the field of spatial-temporal graph prediction. In this paper, rather than solely focusing on designing powerful models for static graphs, we shift our focus to spatial-temporal graph prediction in the dynamic scenario, which involves a continuously expanding and evolving underlying graph. To address inherent challenges, a decoupled learning framework (DLF) is proposed in this paper, which consists of a spatial-temporal graph learning network (DSTG) with a specialized decoupling training strategy. Incorporating inductive biases of time-series structures, DSTG can interpret time dependencies into latent trend and seasonal terms. To enable prompt adaptation to the evolving distribution of the dynamic graph, our decoupling training strategy is devised to iteratively update these two types of patterns. Specifically, for learning seasonal patterns, we conduct thorough training for the model using a long time series (e.g., three months of data). To enhance the learning ability of the model, we also introduce the masked auto-encoding mechanism. During this period, we frequently update trend patterns to expand new information from dynamic graphs. Considering both effectiveness and efficiency, we develop a subnet sampling strategy to select a few representative nodes for fine-tuning the weights of the model. These sampled nodes cover unseen patterns and previously learned patterns. Experiments on dynamic spatial-temporal graph datasets further demonstrate the competitive performance, superior efficiency, and strong scalability of the proposed framework.

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IJCAI Conference 2024 Conference Paper

Towards Robust Trajectory Representations: Isolating Environmental Confounders with Causal Learning

Kang Luo
Yuanshao Zhu
Wei Chen
Kun Wang
Zhengyang Zhou
Sijie Ruan
Yuxuan Liang

Trajectory modeling refers to characterizing human movement behavior, serving as a pivotal step in understanding mobility patterns. Nevertheless, existing studies typically ignore the confounding effects of geospatial context, leading to the acquisition of spurious correlations and limited generalization capabilities. To bridge this gap, we initially formulate a Structural Causal Model (SCM) to decipher the trajectory representation learning process from a causal perspective. Building upon the SCM, we further present a Trajectory modeling framework (TrajCL) based on Causal Learning, which leverages the backdoor adjustment theory as an intervention tool to eliminate the spurious correlations between geospatial context and trajectories. Extensive experiments on two real-world datasets verify that TrajCL markedly enhances performance in trajectory classification tasks while showcasing superior generalization and interpretability.

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NeurIPS Conference 2023 Conference Paper

CrossGNN: Confronting Noisy Multivariate Time Series Via Cross Interaction Refinement

Qihe Huang
Lei Shen
Ruixin Zhang
Shouhong Ding
Binwu Wang
Zhengyang Zhou
Yang Wang

Recently, multivariate time series (MTS) forecasting techniques have seen rapid development and widespread applications across various fields. Transformer-based and GNN-based methods have shown promising potential due to their strong ability to model interaction of time and variables. However, by conducting a comprehensive analysis of the real-world data, we observe that the temporal fluctuations and heterogeneity between variables are not well handled by existing methods. To address the above issues, we propose CrossGNN, a linear complexity GNN model to refine the cross-scale and cross-variable interaction for MTS. To deal with the unexpected noise in time dimension, an adaptive multi-scale identifier (AMSI) is leveraged to construct multi-scale time series with reduced noise. A Cross-Scale GNN is proposed to extract the scales with clearer trend and weaker noise. Cross-Variable GNN is proposed to utilize the homogeneity and heterogeneity between different variables. By simultaneously focusing on edges with higher saliency scores and constraining those edges with lower scores, the time and space complexity (i. e. , $O(L)$) of CrossGNN can be linear with the input sequence length $L$. Extensive experimental results on 8 real-world MTS datasets demonstrate the effectiveness of CrossGNN compared with state-of-the-art methods.

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NeurIPS Conference 2023 Conference Paper

Deciphering Spatio-Temporal Graph Forecasting: A Causal Lens and Treatment

Yutong Xia
Yuxuan Liang
Haomin Wen
Xu Liu
Kun Wang
Zhengyang Zhou
Roger Zimmermann

Spatio-Temporal Graph (STG) forecasting is a fundamental task in many real-world applications. Spatio-Temporal Graph Neural Networks have emerged as the most popular method for STG forecasting, but they often struggle with temporal out-of-distribution (OoD) issues and dynamic spatial causation. In this paper, we propose a novel framework called CaST to tackle these two challenges via causal treatments. Concretely, leveraging a causal lens, we first build a structural causal model to decipher the data generation process of STGs. To handle the temporal OoD issue, we employ the back-door adjustment by a novel disentanglement block to separate the temporal environments from input data. Moreover, we utilize the front-door adjustment and adopt edge-level convolution to model the ripple effect of causation. Experiments results on three real-world datasets demonstrate the effectiveness of CaST, which consistently outperforms existing methods with good interpretability. Our source code is available at https: //github. com/yutong-xia/CaST.

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ICLR Conference 2023 Conference Paper

GReTo: Remedying dynamic graph topology-task discordance via target homophily

Zhengyang Zhou
Qihe Huang
Gengyu Lin
Kuo Yang 0002
Lei Bai 0001
Yang Wang 0015

Dynamic graphs are ubiquitous across disciplines where observations usually change over time. Regressions on dynamic graphs often contribute to diverse critical tasks, such as climate early-warning and traffic controlling. Existing homophily Graph Neural Networks (GNNs) adopt physical connections or feature similarity as adjacent matrix to perform node-level aggregations. However, on dynamic graphs with diverse node-wise relations, exploiting a pre-defined fixed topology for message passing inevitably leads to the aggregations of target-deviated neighbors. We designate such phenomenon as the topology-task discordance, which naturally challenges the homophily assumption. In this work, we revisit node-wise relationships and explore novel homophily measurements on dynamic graphs with both signs and distances, capturing multiple node-level spatial relations and temporal evolutions. We discover that advancing homophily aggregations to signed target-oriented message passing can effectively resolve the discordance and promote aggregation capacity. Therefore, a GReTo is proposed, which performs signed message passing in immediate neighborhood, and exploits both local environments and target awareness to realize high-order message propagation. Empirically, our solution achieves significant improvements against best baselines, notably improving 24.79% on KnowAir and 3.60% on Metr-LA.

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AAAI Conference 2020 Conference Paper

RiskOracle: A Minute-Level Citywide Traffic Accident Forecasting Framework

Zhengyang Zhou
Yang Wang
Xike Xie
Lianliang Chen
Hengchang Liu

Real-time trafﬁc accident forecasting is increasingly important for public safety and urban management (e. g. , real-time safe route planning and emergency response deployment). Previous works on accident forecasting are often performed on hour levels, utilizing existed neural networks with static region-wise correlations taken into account. However, it is still challenging when the granularity of forecasting step improves as the highly dynamic nature of road network and inherent rareness of accident records in one training sample, which leads to biased results and zero-inﬂated issue. In this work, we propose a novel framework RiskOracle, to improve the prediction granularity to minute levels. Specifically, we ﬁrst transform the zero-risk values in labels to ﬁt the training network. Then, we propose the Differential Timevarying Graph neural network (DTGN) to capture the immediate changes of trafﬁc status and dynamic inter-subregion correlations. Furthermore, we adopt multi-task and region selection schemes to highlight citywide most-likely accident subregions, bridging the gap between biased risk values and sporadic accident distribution. Extensive experiments on two real-world datasets demonstrate the effectiveness and scalability of our RiskOracle framework.

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